4-methyl-4-phenylpiperidine-2,6-dione

• ChemBase ID: 242442
• Molecular Formular: C12H13NO2
• Molecular Mass: 203.23712
• Monoisotopic Mass: 203.09462866
• SMILES: N1C(=O)CC(CC1=O)(c1ccccc1)C
• Canonical SMILES: O=C1NC(=O)CC(C1)(C)c1ccccc1
• InChI: InChI=1S/C12H13NO2/c1-12(9-5-3-2-4-6-9)7-10(14)13-11(15)8-12/h2-6H,7-8H2,1H3,(H,13,14,15)
• InChIKey: JBCWFKPZSNLYQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-4-phenylpiperidine-2,6-dione
• IUPAC Traditional name: 4-methyl-4-phenylpiperidine-2,6-dione
• Synonyms: 4-methyl-4-phenylpiperidine-2,6-dione

Database IDs

• MDL Number: MFCD01725038
• PubChem SID: 164298352
• PubChem CID: 95854

CALCULATED PROPERTIES

• Acid pKa: 11.788557
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.171967
• LogD (pH = 7.4): 1.1719497
• Log P: 1.1719673
• Molar Refractivity: 56.0011 cm^3
• Polarizability: 21.927471 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 1.464

Product Information

• Purity: 95%